[gmx-users] Distance of residue’s centre of mass to a surface (COM)

James Lord jjamesgreen110 at gmail.com
Fri Mar 27 13:03:09 CET 2015


Dear users,
If I want to calculate distance of each residue's COM of a protein to a
surface is g_mindist going to be my friend? It is documented that
"g_mindist computes the distance between one group and a number of other
groups. Both the minimum distance and the number of contacts within a given
distance are written to two separate output files".
Cheers
James


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